On Tue, 2002-09-17 at 13:22, xu yechun wrote:
Dear all,
I have a question about adding ions to non-zero charged system. For
example, a system with 8 positive charge, Is it enough to add only 8 CL
ions on the system? I think that the system should be added another more
number of Na and Cl ions to reach physiological concentration. Would I
calculate the volume of the solvated system and following the
physiological concentration 0.154mol/l to calculate the number of Na and
Cl ions?
yes. 1 ion per 360 water molecules. If you have more than 2880 waters
you may want add other ions too.
--
Groeten, David.
________________________________________________________________________
Dr. David van der Spoel, Biomedical center, Dept. of Biochemistry
Husargatan 3, Box 576, 75123 Uppsala, Sweden
phone: 46 18 471 4205 fax: 46 18 511 755
spoel at xray.bmc.uu.sespoel at gromacs.orghttp://zorn.bmc.uu.se/~spoel
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